4-(1H-benzimidazol-1-ylmethyl)benzoic acid
TL;DR: 4-(1H-benzimidazol-1-ylmethyl)benzoic acid (CAS 139742-50-0) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzimidazol-1-ylmethyl)benzoic acid
Also Known As: 4-(1H-benzimidazol-1-ylmethyl)benzoic acid, Maybridge1_005258, 4-(benzimidazol-1-ylmethyl)benzoic acid, 4-((1H-Benzo[d]imidazol-1-yl)methyl)benzoic acid, 4-(benzimidazolylmethyl)benzoic acid
Technical Specifications
| Molecular Formula | C15H12N2O2 |
| Molecular Weight | 252.08987 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.08987 Da |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
| SMILES | C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)C(=O)O |
| InChIKey | KLIANJXCGMBICV-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1H-benzimidazol-1-ylmethyl)benzoic acid
Property Insights of 4-(1H-benzimidazol-1-ylmethyl)benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-benzimidazol-1-ylmethyl)benzoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 4-(1H-benzimidazol-1-ylmethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-benzimidazol-1-ylmethyl)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(1H-benzimidazol-1-ylmethyl)benzoic acid?
The CAS number of 4-(1H-benzimidazol-1-ylmethyl)benzoic acid is 139742-50-0.
What is the molecular formula of 4-(1H-benzimidazol-1-ylmethyl)benzoic acid?
The molecular formula of 4-(1H-benzimidazol-1-ylmethyl)benzoic acid is C15H12N2O2.
What is the molecular weight of 4-(1H-benzimidazol-1-ylmethyl)benzoic acid?
The molecular weight of 4-(1H-benzimidazol-1-ylmethyl)benzoic acid is 252.08987 g/mol.
Where can I buy 4-(1H-benzimidazol-1-ylmethyl)benzoic acid?
You can request a quote for 4-(1H-benzimidazol-1-ylmethyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1H-benzimidazol-1-ylmethyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(1H-benzimidazol-1-ylmethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.